Geometry & MOs

Info

ID:	369876
PubChem CID:	127336571
Reduced:	FON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	252.129634
ΔH_f, kcal/mol:	-50.66
Dipole, Da:	4.74
IP(EA), eV:	-8.78(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=NC=NC(=C2)N3CCC(C3)CC4=CC=C(C=C4)F)CO

DOS

IR

Vibrations